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CAS 1943-95-9 3-Cyclohexylphenol molecular structure lightbox
CAS RN: 1943-95-9

3-Cyclohexylphenol

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Batchno.20251007 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1943-95-9
  • Purity/Analytical Methods: >99.0%
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1943-95-9 / 3-cyclohexylphenol

Standard CAS: 1943-95-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1943-95-9
Multi CAS
No
Molecular Formula
C12H16O
Molecular Weight
176.250000
Exact Mass
176.120115
SMILES
C1CCC(CC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2
InChIKey
WFKNYMUYMWAGCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.93
TPSA
20.23

LogP / Solubility

WLOGP
3.44
MLOGP
3.02
XLogP3
4.1
Consensus LogP
3.52
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.

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